AC1NX3E5

4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid

Also Known As: BAS 00702432|4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid|(E)-4-(3-(4-cinnamylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid|4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidin-1-yl]benzoic acid|4-[2,5-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrrolidin-1-yl]benzoate|4-{2,5-dioxo-3-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]-1-pyrrolidinyl}benzoic acid|4-{3-[4-((2E)-3-phenylprop-2-enyl)piperazinyl]-2,5-dioxoazolidinyl}benzoic aci d

Molecular Formula	C24H25N3O4
Molecular Weight	419.1845 g/mol
LogP	2.3477
Topological Polar Surface Area	81.16 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	419.1845
Monoisotopic Mass	419.1845
Heavy Atoms	31
Complexity	979.6438

Chemical Identifiers

CAS Number	313378-49-3
SMILES	C1CN(CCN1C/C=C/C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O